COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.608   0.088  -0.244  1.00  0.00           O  
HETATM    2  C   UNL     1       5.171  -0.984  -0.174  1.00  0.00           C  
HETATM    3  C   UNL     1       6.676  -1.043  -0.126  1.00  0.00           C  
HETATM    4  C   UNL     1       7.244   0.377  -0.181  1.00  0.00           C  
HETATM    5  C   UNL     1       8.772   0.317  -0.133  1.00  0.00           C  
HETATM    6  C   UNL     1       9.340   1.737  -0.188  1.00  0.00           C  
HETATM    7  N   UNL     1      10.807   1.679  -0.142  1.00  0.00           N  
HETATM    8  C   UNL     1      11.394   2.994  -0.429  1.00  0.00           C  
HETATM    9  C   UNL     1      11.273   1.166   1.153  1.00  0.00           C  
HETATM   10  N   UNL     1       4.450  -2.122  -0.132  1.00  0.00           N  
HETATM   11  C   UNL     1       3.054  -2.064  -0.030  1.00  0.00           C  
HETATM   12  C   UNL     1       2.270  -3.007  -0.683  1.00  0.00           C  
HETATM   13  C   UNL     1       0.895  -2.949  -0.582  1.00  0.00           C  
HETATM   14  C   UNL     1       2.454  -1.067   0.728  1.00  0.00           C  
HETATM   15  C   UNL     1       1.079  -1.010   0.829  1.00  0.00           C  
HETATM   16  C   UNL     1       0.295  -1.949   0.171  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.101  -1.891   0.273  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.740  -0.715   0.115  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.840   0.725  -0.101  1.00  0.00           S  
HETATM   20  N   UNL     1      -3.087  -0.673   0.126  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.726   0.503  -0.033  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.087   1.526  -0.186  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.203   0.549  -0.020  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.939  -0.623   0.161  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.318  -0.573   0.172  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.971   0.635   0.004  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.477   0.682   0.017  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.024  -0.197  -1.110  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.991   0.167   1.362  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.944   2.125  -0.189  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.247   1.801  -0.177  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.868   1.766  -0.184  1.00  0.00           C  
HETATM   33  H   UNL     1       6.991  -1.525   0.799  1.00  0.00           H  
HETATM   34  H   UNL     1       7.044  -1.615  -0.978  1.00  0.00           H  
HETATM   35  H   UNL     1       6.928   0.859  -1.106  1.00  0.00           H  
HETATM   36  H   UNL     1       6.875   0.949   0.670  1.00  0.00           H  
HETATM   37  H   UNL     1       9.087  -0.165   0.792  1.00  0.00           H  
HETATM   38  H   UNL     1       9.140  -0.255  -0.985  1.00  0.00           H  
HETATM   39  H   UNL     1       9.024   2.219  -1.113  1.00  0.00           H  
HETATM   40  H   UNL     1       8.971   2.309   0.664  1.00  0.00           H  
HETATM   41  H   UNL     1      11.049   3.716   0.311  1.00  0.00           H  
HETATM   42  H   UNL     1      12.481   2.924  -0.389  1.00  0.00           H  
HETATM   43  H   UNL     1      11.089   3.320  -1.424  1.00  0.00           H  
HETATM   44  H   UNL     1      10.984   1.859   1.944  1.00  0.00           H  
HETATM   45  H   UNL     1      10.823   0.191   1.341  1.00  0.00           H  
HETATM   46  H   UNL     1      12.358   1.068   1.136  1.00  0.00           H  
HETATM   47  H   UNL     1       4.898  -2.981  -0.172  1.00  0.00           H  
HETATM   48  H   UNL     1       2.737  -3.784  -1.269  1.00  0.00           H  
HETATM   49  H   UNL     1       0.285  -3.682  -1.090  1.00  0.00           H  
HETATM   50  H   UNL     1       3.064  -0.337   1.239  1.00  0.00           H  
HETATM   51  H   UNL     1       0.612  -0.235   1.419  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.608  -2.697   0.458  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.596  -1.489   0.248  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.431  -1.567   0.293  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.889  -1.479   0.313  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.692  -1.224  -0.963  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.114  -0.163  -1.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.658   0.171  -2.068  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.601   0.793   2.164  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.081   0.201   1.372  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.659  -0.861   1.509  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.577   2.492  -1.148  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.033   2.159  -0.180  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.554   2.751   0.613  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.762   2.740  -0.309  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.304   2.677  -0.321  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    4    2   33   34                                       
CONECT    4    5    3   35   36                                       
CONECT    5    6    4   37   38                                       
CONECT    6    7    5   39   40                                       
CONECT    7    9    8    6                                            
CONECT    8    7   41   42   43                                       
CONECT    9    7   44   45   46                                       
CONECT   10    2   11   47                                            
CONECT   11   14   10   12   12                                       
CONECT   12   11   11   13   48                                       
CONECT   13   16   16   12   49                                       
CONECT   14   15   15   11   50                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   17   13   13                                       
CONECT   17   16   18   52                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   53                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   32   32                                       
CONECT   24   25   25   23   54                                       
CONECT   25   24   24   26   55                                       
CONECT   26   25   27   31   31                                       
CONECT   27   28   26   29   30                                       
CONECT   28   27   56   57   58                                       
CONECT   29   27   59   60   61                                       
CONECT   30   27   62   63   64                                       
CONECT   31   26   26   32   65                                       
CONECT   32   23   23   31   66                                       
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
